6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H37N7O4 — CID 138404024

IUPAC6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2CCN(C(=O)[C@@H](N)C(C)O)CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C27H37N7O4/c1-14(2)34-24-21(13-30-34)19(25(36)29-12-20-15(3)10-16(4)31-26(20)37)11-22(32-24)18-6-8-33(9-7-18)27(38)23(28)17(5)35/h10-11,13-14,17-18,20,23,35H,6-9,12,28H2,1-5H3,(H,29,36)/t17?,20?,23-/m0/s1
InChIKeyHDKOMYCRERKNBW-MLFGXNJISA-N
MW523.64 g/mol
LogP1.72
Rot. Bonds7

About 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 138404024) has the molecular formula C27H37N7O4 and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID138404024
Molecular FormulaC27H37N7O4
Molecular Weight523.64 g/mol
Exact Mass523.29
IUPAC Name6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2CCN(C(=O)[C@@H](N)C(C)O)CC2)nc2c1cnn2C(C)C
InChIInChI=1S/C27H37N7O4/c1-14(2)34-24-21(13-30-34)19(25(36)29-12-20-15(3)10-16(4)31-26(20)37)11-22(32-24)18-6-8-33(9-7-18)27(38)23(28)17(5)35/h10-11,13-14,17-18,20,23,35H,6-9,12,28H2,1-5H3,(H,29,36)/t17?,20?,23-/m0/s1
InChIKeyHDKOMYCRERKNBW-MLFGXNJISA-N
XLogP1.72
TPSA155.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 138404024) is 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(C2CCN(C(=O)[C@@H](N)C(C)O)CC2)nc2c1cnn2C(C)C.
What is the InChIKey of 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HDKOMYCRERKNBW-MLFGXNJISA-N. The full InChI is InChI=1S/C27H37N7O4/c1-14(2)34-24-21(13-30-34)19(25(36)29-12-20-15(3)10-16(4)31-26(20)37)11-22(32-24)18-6-8-33(9-7-18)27(38)23(28)17(5)35/h10-11,13-14,17-18,20,23,35H,6-9,12,28H2,1-5H3,(H,29,36)/t17?,20?,23-/m0/s1.
What are the key properties of 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-2-amino-3-hydroxybutanoyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 138404024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).